| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 15th, 2011 | 19 | Yes |
Popular Name: N-[(2S)-2-amino-2-phenyl-ethyl]-4,5-dichloro-1H-pyrrole-2-carboxamide N-[(2S)-2-amino-2-phenyl-ethyl]-…
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 0.81 | 3.69 | -58.05 | 5 | 4 | 1 | 73 | 299.181 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.81 | 2.88 | -30.87 | 3 | 4 | -1 | 69 | 297.165 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.81 | 3.35 | -8.5 | 4 | 4 | 0 | 71 | 298.173 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
